CID 89946

2,3,5,6-tetrachloro-4-(methylthio)pyridine

Structural Information

Molecular Formula

C₆H₃Cl₄NS

SMILES

CSC1=C(C(=NC(=C1Cl)Cl)Cl)Cl

InChI

InChI=1S/C6H3Cl4NS/c1-12-4-2(7)5(9)11-6(10)3(4)8/h1H3

InChIKey

FETMKMGDUQNPLN-UHFFFAOYSA-N

Compound name

2,3,5,6-tetrachloro-4-methylsulfanylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 22
Patents: 260.87402 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	261.88130	142.7
[M+Na]+	283.86324	154.3
[M-H]-	259.86674	143.0
[M+NH4]+	278.90784	160.1
[M+K]+	299.83718	148.7
[M+H-H2O]+	243.87128	140.2
[M+HCOO]-	305.87222	140.7
[M+CH3COO]-	319.88787	193.6
[M+Na-2H]-	281.84869	142.6
[M]+	260.87347	146.2
[M]-	260.87457	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe